4-hydrazinylcinnoline

• ChemBase ID: 271969
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: c12c(cnnc1cccc2)NN
• Canonical SMILES: NNc1cnnc2c1cccc2
• InChI: InChI=1S/C8H8N4/c9-11-8-5-10-12-7-4-2-1-3-6(7)8/h1-5H,9H2,(H,11,12)
• InChIKey: HALUISOIGGICEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylcinnoline
• IUPAC Traditional name: 4-hydrazinylcinnoline
• Synonyms: 4-hydrazinylcinnoline

Database IDs

• MDL Number: MFCD11868977
• PubChem SID: 164327879
• PubChem CID: 39733519

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.37960154
• LogD (pH = 7.4): 0.5402868
• Log P: 0.5427731
• Molar Refractivity: 49.5493 cm^3
• Polarizability: 18.633959 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.383

Product Information

• Purity: 95%